1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride

C13H20ClFN2 — CID 171172730

IUPAC1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
SMILESCl.FCC[C@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C13H19FN2.ClH/c14-7-6-13(12-4-2-1-3-5-12)16-10-8-15-9-11-16;/h1-5,13,15H,6-11H2;1H/t13-;/m1./s1
InChIKeyOKTLTNOOAQGSKP-BTQNPOSSSA-N
MW258.77 g/mol
LogP2.41
Rot. Bonds4

About 1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride

1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride (PubChem CID 171172730) has the molecular formula C13H20ClFN2 and a molecular weight of 258.77 g/mol. Its IUPAC name is 1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
PubChem CID171172730
Molecular FormulaC13H20ClFN2
Molecular Weight258.77 g/mol
Exact Mass258.13
IUPAC Name1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
SMILESCl.FCC[C@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C13H19FN2.ClH/c14-7-6-13(12-4-2-1-3-5-12)16-10-8-15-9-11-16;/h1-5,13,15H,6-11H2;1H/t13-;/m1./s1
InChIKeyOKTLTNOOAQGSKP-BTQNPOSSSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride
CID 171163278
1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine
CID 171171813
1-[(1S)-1-(3,4-diphenoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171162806
1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride
CID 171168334
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
CID 171181994
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292149
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182615
1-[(1R)-3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine;hydrochloride
CID 171172768

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride (CID 171172730) is 1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride is Cl.FCC[C@H](c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride?
The InChIKey is OKTLTNOOAQGSKP-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19FN2.ClH/c14-7-6-13(12-4-2-1-3-5-12)16-10-8-15-9-11-16;/h1-5,13,15H,6-11H2;1H/t13-;/m1./s1.
What are the key properties of 1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride?
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride has a molecular weight of 258.77 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride is sourced from PubChem (CID 171172730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).